1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C18H22ClN — CID 106857539

IUPAC1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1ccc(C)cc1Cl
InChIInChI=1S/C18H22ClN/c1-12(2)14-6-8-15(9-7-14)18(20-4)16-10-5-13(3)11-17(16)19/h5-12,18,20H,1-4H3
InChIKeyXNYJAEIXCWINSV-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.08
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 106857539) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID106857539
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1ccc(C)cc1Cl
InChIInChI=1S/C18H22ClN/c1-12(2)14-6-8-15(9-7-14)18(20-4)16-10-5-13(3)11-17(16)19/h5-12,18,20H,1-4H3
InChIKeyXNYJAEIXCWINSV-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422
1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106857455
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
1-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 106857438
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 106857038
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 106857516
1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 106857596

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 106857539) is 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is XNYJAEIXCWINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12(2)14-6-8-15(9-7-14)18(20-4)16-10-5-13(3)11-17(16)19/h5-12,18,20H,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 287.83 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 106857539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).